1894-8704 Screening compound: (4E)-2-(4-butoxyphenyl)-4-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

1894-8704 Screening compound: (4E)-2-(4-butoxyphenyl)-4-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one
1894-8704 Screening compound: (4E)-2-(4-butoxyphenyl)-4-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1894-8704
(4E)-2-(4-butoxyphenyl)-4-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1894-8704

Molecular Formula

C20H18FNO3 (C20 H18 FNO3)

Compound Name

(4E)-2-(4-butoxyphenyl)-4-[(2-fluorophenyl)methylidene]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-2-(4-butoxyphenyl)-4-[(2-fluorophenyl)methylidene]-45-dihydro-13-oxazol-5-one

SMILES

CCCCOc(cc1)ccc1C(OC1=O)=N/C1=C/c(cccc1)c1F

InChI

InChI=1S/C20H18FNO3/c1-2-3-12-24-16-10-8-14(9-11-16)19-22-18(20(23)25-19)13-15-6-4-5-7-17(15)21/h4-11,13H,2-3,12H2,1H3

InChI Key

RYHYTCMCROKRPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00617901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.873

Water Solubility, LogSw

-4.62

Polar Surface Area

37.793

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 1894-8704 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1894-8704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1894-8704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1894-8704
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1894-8704 available by request